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CHEBI:216815 - Gypsetin

ChEBI IDCHEBI:216815
ChEBI NameGypsetin
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FormulaC32H36N4O4
Net Charge0
Average Mass540.664
Monoisotopic Mass540.27366
SMILESC=CC(C)(C)[C@@]12Nc3ccccc3[C@]1(O)C[C@H]1C(=O)N3[C@@H](C[C@]4(O)c5ccccc5N[C@]34C(C)(C)C=C)C(=O)N12
InChIInChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24-,29-,30+,31+,32-/m0/s1
InChIKeyCXDDBHFLLPBKRS-OVYULKEKSA-N
Species of MetaboliteComponentSourceComments
Nannizzia (ncbitaxon:1915381) - PubMed (8150711)
ChEBI Ontology
Outgoing Relation(s)
Gypsetin (CHEBI:216815) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,12S,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione
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140962ChemSpider